3-ethoxy-1-(trifluoromethyl)-1H-isoindole

C11H10F3NO — CID 14363758

IUPAC3-ethoxy-1-(trifluoromethyl)-1H-isoindole
SMILESCCOC1=NC(C(F)(F)F)c2ccccc21
InChIInChI=1S/C11H10F3NO/c1-2-16-10-8-6-4-3-5-7(8)9(15-10)11(12,13)14/h3-6,9H,2H2,1H3
InChIKeyZCVRCPVRQWZBTI-UHFFFAOYSA-N
MW229.20 g/mol
LogP3.09
Rot. Bonds1

About 3-ethoxy-1-(trifluoromethyl)-1H-isoindole

3-ethoxy-1-(trifluoromethyl)-1H-isoindole (PubChem CID 14363758) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 3-ethoxy-1-(trifluoromethyl)-1H-isoindole.

Molecular Properties

Compound Name3-ethoxy-1-(trifluoromethyl)-1H-isoindole
PubChem CID14363758
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name3-ethoxy-1-(trifluoromethyl)-1H-isoindole
SMILESCCOC1=NC(C(F)(F)F)c2ccccc21
InChIInChI=1S/C11H10F3NO/c1-2-16-10-8-6-4-3-5-7(8)9(15-10)11(12,13)14/h3-6,9H,2H2,1H3
InChIKeyZCVRCPVRQWZBTI-UHFFFAOYSA-N
XLogP3.09
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(trifluoromethyl)-1H-isoindole?
The IUPAC name of 3-ethoxy-1-(trifluoromethyl)-1H-isoindole (CID 14363758) is 3-ethoxy-1-(trifluoromethyl)-1H-isoindole.
What is the SMILES notation for 3-ethoxy-1-(trifluoromethyl)-1H-isoindole?
The canonical SMILES for 3-ethoxy-1-(trifluoromethyl)-1H-isoindole is CCOC1=NC(C(F)(F)F)c2ccccc21.
What is the InChIKey of 3-ethoxy-1-(trifluoromethyl)-1H-isoindole?
The InChIKey is ZCVRCPVRQWZBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-2-16-10-8-6-4-3-5-7(8)9(15-10)11(12,13)14/h3-6,9H,2H2,1H3.
What are the key properties of 3-ethoxy-1-(trifluoromethyl)-1H-isoindole?
3-ethoxy-1-(trifluoromethyl)-1H-isoindole has a molecular weight of 229.20 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(trifluoromethyl)-1H-isoindole is sourced from PubChem (CID 14363758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).